Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1)

Base Information

• Chemical Name: Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1)
• CAS No.: 70446-38-7
• Molecular Formula: C34H33 N2 S2 . I
• Molecular Weight: 660.686
• DSSTox Substance ID: DTXSID30694673
• Mol file: 70446-38-7.mol

Synonyms:70446-38-7;DTXSID30694673;AKOS000814134;Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1);3-Ethyl-2-(2-{6-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene][3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl}ethenyl)-1,3-benzothiazol-3-ium iodide

Chemical Property of Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1)

Chemical Property:

• PSA: 65.29000
• LogP: 5.58790
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 660.11299
• Heavy Atom Count: 39
• Complexity: 880

Purity/Quality:

99% ^*data from raw suppliers

3-ETHYL-2-((E)-2-(3-((E)-2-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)ETHYLIDENE)-2-PHENYL-1-CYCLOHEXEN-1-YL)ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2SC1=CC=C3CCCC(=C3C4=CC=CC=C4)C=CC5=[N+](C6=CC=CC=C6S5)CC.[I-]
• Isomeric SMILES: CCN\1C2=CC=CC=C2S/C1=C\C=C\3/CCCC(=C3C4=CC=CC=C4)/C=C/C5=[N+](C6=CC=CC=C6S5)CC.[I-]

Technology Process of Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1)

There total 1 articles about Benzothiazolium,3-ethyl-2-[2-[3-[2-(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-2-phenyl-1-cyclohexen-1-yl]ethenyl]-,iodide(1:1) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-ethyl-2-methylbenzothiazolium iodide (3119-93-5) + N-phenyl-2-phenyl-3-[(phenylamino)methylene]-1-cyclohexene-1-methanimine hydrochloride (56709-94-5) → 3-ethyl-2-(2-{3-[2-(3-ethyl-3H-benzothiazol-2-ylidene)-ethylidene]-2-phenyl-cyclohex-1-enyl}-vinyl)-benzothiazolium; iodide (70446-38-7)

Guidance literature:

With sodium acetate;

upstream raw materials:

N-ethyl-2-methylbenzothiazolium iodide

N-phenyl-2-phenyl-3-[(phenylamino)methylene]-1-cyclohexene-1-methanimine hydrochloride